Reference : Nonequilibrium thermodynamics of non-ideal chemical reaction networks
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Physics and Materials Science
http://hdl.handle.net/10993/48120
Nonequilibrium thermodynamics of non-ideal chemical reaction networks
English
Avanzini, Francesco mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Penocchio, Emanuele mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Falasco, Gianmaria mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Esposito, Massimiliano mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
2-Mar-2021
Journal of Chemical Physics
American Institute of Physics
154
094114
Yes (verified by ORBilu)
International
0021-9606
1089-7690
New York
NY
[en] nonequilibrium thermodynamics ; chemical reaction network theory ; thermodynamic properties
[en] All current formulations of nonequilibrium thermodynamics of open chemical reaction networks rely on the assumption of non-interacting species. We develop a general theory that accounts for interactions between chemical species within a mean-field approach using activity coefficients. Thermodynamic consistency requires that rate equations do not obey standard mass-action kinetics but account for the interactions with concentration dependent kinetic constants. Many features of the ideal formulations are recovered. Crucially, the thermodynamic potential and the forces driving non-ideal chemical systems out of equilibrium are identified. Our theory is general and holds for any mean-field expression of the interactions leading to lower bounded free energies.
http://hdl.handle.net/10993/48120
10.1063/5.0041225
https://aip.scitation.org/doi/abs/10.1063/5.0041225

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